Basic information
- CAS
136471-70-0- Standard SMILES
Clc1cc2c(c(Cl)c1Br)Oc1ccccc1O2- InChIKey
XBZQZPFABBXDBG-UHFFFAOYSA-N- Molecular formula
- C12H5BrCl2O2
- Average molar mass
- 331.97 g/mol
- Monoisotopic mass
- 329.885
Names & identifiers
- Preferred name
- Dibenzo-p-dioxin, 2-bromo-1,3-dichloro-
- IUPAC
- 2-bromo-1,3-dichlorodibenzo-p-dioxin
Names & synonyms
2-bromo-1,3-dichlorooxanthreneDibenzo-p-dioxin, 2-bromo-1,3-dichloro-2-bromo,1,3-dichloro-dibenzo-dioxin136471-70-0DTXSID60159806XBZQZPFABBXDBG-UHFFFAOYSA-N
Database identifiers
- CAS
136471-70-0- PubChem CID
- 178332
- DTXSID
DTXSID60159806
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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